3-(3-methoxypropyl)-2-methyl-2-(4-pentoxyphenyl)-1H-quinazolin-4-one

C24H32N2O3 — CID 54778314

IUPAC3-(3-methoxypropyl)-2-methyl-2-(4-pentoxyphenyl)-1H-quinazolin-4-one
SMILESCCCCCOc1ccc(C2(C)Nc3ccccc3C(=O)N2CCCOC)cc1
InChIInChI=1S/C24H32N2O3/c1-4-5-8-18-29-20-14-12-19(13-15-20)24(2)25-22-11-7-6-10-21(22)23(27)26(24)16-9-17-28-3/h6-7,10-15,25H,4-5,8-9,16-18H2,1-3H3
InChIKeyVFQPZRJBHGHVAG-UHFFFAOYSA-N
MW396.53 g/mol
LogP5.03
Rot. Bonds10

About 3-(3-methoxypropyl)-2-methyl-2-(4-pentoxyphenyl)-1H-quinazolin-4-one

3-(3-methoxypropyl)-2-methyl-2-(4-pentoxyphenyl)-1H-quinazolin-4-one (PubChem CID 54778314) has the molecular formula C24H32N2O3 and a molecular weight of 396.53 g/mol. Its IUPAC name is 3-(3-methoxypropyl)-2-methyl-2-(4-pentoxyphenyl)-1H-quinazolin-4-one.

Molecular Properties

Compound Name3-(3-methoxypropyl)-2-methyl-2-(4-pentoxyphenyl)-1H-quinazolin-4-one
PubChem CID54778314
Molecular FormulaC24H32N2O3
Molecular Weight396.53 g/mol
Exact Mass396.24
IUPAC Name3-(3-methoxypropyl)-2-methyl-2-(4-pentoxyphenyl)-1H-quinazolin-4-one
SMILESCCCCCOc1ccc(C2(C)Nc3ccccc3C(=O)N2CCCOC)cc1
InChIInChI=1S/C24H32N2O3/c1-4-5-8-18-29-20-14-12-19(13-15-20)24(2)25-22-11-7-6-10-21(22)23(27)26(24)16-9-17-28-3/h6-7,10-15,25H,4-5,8-9,16-18H2,1-3H3
InChIKeyVFQPZRJBHGHVAG-UHFFFAOYSA-N
XLogP5.03
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.53
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-butyl-2-(4-hexoxyphenyl)-2-methyl-1H-quinazolin-4-one
CID 54778476
3-(3-methoxypropyl)-2-methyl-2-[4-(2-methylpropoxy)phenyl]-1H-quinazolin-4-one
CID 54778341
2-(4-hexoxyphenyl)-2-methyl-3-prop-2-enyl-1H-quinazolin-4-one
CID 54779617
3-butan-2-yl-2-methyl-2-(4-pentoxyphenyl)-1H-quinazolin-4-one
CID 54779182
2-ethyl-3-(3-methoxypropyl)-2-[4-(2-phenoxyethoxy)phenyl]-1H-quinazolin-4-one
CID 54780419
3-butyl-2-methyl-2-[4-(2-methylprop-2-enoxy)phenyl]-1H-quinazolin-4-one
CID 54780126
2-[3-(2-ethoxyethoxy)phenyl]-3-(3-methoxypropyl)-2-methyl-1H-quinazolin-4-one
CID 54778725
3-(3-methoxypropyl)-2-methyl-2-(2-propoxyphenyl)-1H-quinazolin-4-one
CID 54778619
3-butyl-2-methyl-2-(4-methylphenyl)-1H-quinazolin-4-one
CID 54778482
2-(2-heptoxyphenyl)-3-(2-methoxyethyl)-2-methyl-1H-quinazolin-4-one
CID 54778829
2-(2-hexoxyphenyl)-3-(2-methoxyethyl)-2-methyl-1H-quinazolin-4-one
CID 54778824
2-(4-butoxyphenyl)-3-(furan-2-ylmethyl)-2-methyl-1H-quinazolin-4-one
CID 54779726

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxypropyl)-2-methyl-2-(4-pentoxyphenyl)-1H-quinazolin-4-one?
The IUPAC name of 3-(3-methoxypropyl)-2-methyl-2-(4-pentoxyphenyl)-1H-quinazolin-4-one (CID 54778314) is 3-(3-methoxypropyl)-2-methyl-2-(4-pentoxyphenyl)-1H-quinazolin-4-one.
What is the SMILES notation for 3-(3-methoxypropyl)-2-methyl-2-(4-pentoxyphenyl)-1H-quinazolin-4-one?
The canonical SMILES for 3-(3-methoxypropyl)-2-methyl-2-(4-pentoxyphenyl)-1H-quinazolin-4-one is CCCCCOc1ccc(C2(C)Nc3ccccc3C(=O)N2CCCOC)cc1.
What is the InChIKey of 3-(3-methoxypropyl)-2-methyl-2-(4-pentoxyphenyl)-1H-quinazolin-4-one?
The InChIKey is VFQPZRJBHGHVAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O3/c1-4-5-8-18-29-20-14-12-19(13-15-20)24(2)25-22-11-7-6-10-21(22)23(27)26(24)16-9-17-28-3/h6-7,10-15,25H,4-5,8-9,16-18H2,1-3H3.
What are the key properties of 3-(3-methoxypropyl)-2-methyl-2-(4-pentoxyphenyl)-1H-quinazolin-4-one?
3-(3-methoxypropyl)-2-methyl-2-(4-pentoxyphenyl)-1H-quinazolin-4-one has a molecular weight of 396.53 g/mol, XLogP of 5.03, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxypropyl)-2-methyl-2-(4-pentoxyphenyl)-1H-quinazolin-4-one is sourced from PubChem (CID 54778314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).